1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine

C16H24N4O — CID 79164910

IUPAC1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OCc1cnn(CC)c1
InChIInChI=1S/C16H24N4O/c1-4-14(17)8-15-16(7-6-12(3)19-15)21-11-13-9-18-20(5-2)10-13/h6-7,9-10,14H,4-5,8,11,17H2,1-3H3
InChIKeyOVGUNVMBEDWSPN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.47
Rot. Bonds7

About 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine

1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine (PubChem CID 79164910) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine
PubChem CID79164910
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OCc1cnn(CC)c1
InChIInChI=1S/C16H24N4O/c1-4-14(17)8-15-16(7-6-12(3)19-15)21-11-13-9-18-20(5-2)10-13/h6-7,9-10,14H,4-5,8,11,17H2,1-3H3
InChIKeyOVGUNVMBEDWSPN-UHFFFAOYSA-N
XLogP2.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701248
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 78936430
1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
CID 79164912
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958814
1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 63050307
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
1-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79168840
1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79165128
1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79169011
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 63366486
1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79164930
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine (CID 79164910) is 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine is CCC(N)Cc1nc(C)ccc1OCc1cnn(CC)c1.
What is the InChIKey of 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine?
The InChIKey is OVGUNVMBEDWSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-14(17)8-15-16(7-6-12(3)19-15)21-11-13-9-18-20(5-2)10-13/h6-7,9-10,14H,4-5,8,11,17H2,1-3H3.
What are the key properties of 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine?
1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79164910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).